Fluorine in PDB 5uvw: BRD4_BROMODOMAIN1-A1376855

The structure of BRD4_BROMODOMAIN1-A1376855, PDB code: 5uvw was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	122.49 / 2.14
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.438, 141.438, 132.614, 90.00, 90.00, 120.00
R / Rfree (%)	20.5 / 22.6

The binding sites of Fluorine atom in the BRD4_BROMODOMAIN1-A1376855 (pdb code 5uvw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the BRD4_BROMODOMAIN1-A1376855, PDB code: 5uvw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:69.5 occ:1.00 F30 A:8NG201 0.0 69.5 1.0 C14 A:8NG201 1.3 63.4 1.0 C4 A:8NG201 2.3 59.0 1.0 C7 A:8NG201 2.4 59.8 1.0 F30 B:8NG201 2.4 72.0 1.0 H4 A:8NG201 2.5 59.0 1.0 H7 A:8NG201 2.6 59.8 1.0 H7 B:8NG201 2.9 56.6 1.0 C14 B:8NG201 3.2 62.3 1.0 C7 B:8NG201 3.4 57.6 1.0 C3 A:8NG201 3.6 55.2 1.0 C15 A:8NG201 3.6 57.0 1.0 O A:HOH396 3.7 67.7 1.0 C13 A:8NG201 4.0 53.5 1.0 C4 B:8NG201 4.4 56.7 1.0 OD2 A:ASP145 4.4 65.4 1.0 H3 A:8NG201 4.4 55.3 1.0 C15 B:8NG201 4.6 55.4 1.0 H4 B:8NG201 4.7 56.5 1.0 CB A:ASP145 4.7 50.7 1.0 F31 A:8NG201 4.7 57.0 1.0

Fluorine binding site 2 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:57.0 occ:1.00 F31 A:8NG201 0.0 57.0 1.0 C15 A:8NG201 1.3 57.0 1.0 C13 A:8NG201 2.3 53.5 1.0 C7 A:8NG201 2.4 59.8 1.0 H7 A:8NG201 2.6 59.8 1.0 H5 A:8NG201 2.7 41.5 1.0 O29 A:8NG201 2.7 49.1 1.0 H2 A:8NG201 3.1 45.9 1.0 C12 A:8NG201 3.2 45.3 1.0 C2 A:8NG201 3.4 44.7 1.0 C5 A:8NG201 3.6 41.5 1.0 C14 A:8NG201 3.6 63.4 1.0 C3 A:8NG201 3.6 55.2 1.0 CZ2 B:TRP81 3.7 37.8 1.0 O A:HOH373 3.7 63.9 1.0 CH2 B:TRP81 3.9 37.6 1.0 CD2 A:LEU92 4.1 45.2 1.0 C4 A:8NG201 4.1 59.0 1.0 C10 A:8NG201 4.3 44.2 1.0 CE2 B:TRP81 4.5 38.4 1.0 H3 A:8NG201 4.5 55.3 1.0 C1 A:8NG201 4.5 42.9 1.0 C8 A:8NG201 4.5 42.8 1.0 O B:HOH414 4.5 71.8 1.0 C9 A:8NG201 4.6 42.9 1.0 H8 A:8NG201 4.7 42.6 1.0 F30 A:8NG201 4.7 69.5 1.0 C18 A:8NG201 4.9 44.7 1.0 O A:HOH368 4.9 52.7 1.0 CZ3 B:TRP81 4.9 36.6 1.0

Fluorine binding site 3 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:72.0 occ:1.00 F30 B:8NG201 0.0 72.0 1.0 C14 B:8NG201 1.3 62.3 1.0 C4 B:8NG201 2.3 56.7 1.0 C7 B:8NG201 2.4 57.6 1.0 F30 A:8NG201 2.4 69.5 1.0 H4 B:8NG201 2.5 56.5 1.0 H7 B:8NG201 2.6 56.6 1.0 H7 A:8NG201 3.1 59.8 1.0 C14 A:8NG201 3.3 63.4 1.0 C7 A:8NG201 3.5 59.8 1.0 C3 B:8NG201 3.6 52.1 1.0 C15 B:8NG201 3.6 55.4 1.0 C13 B:8NG201 4.0 50.2 1.0 O B:HOH414 4.1 71.8 1.0 OD2 B:ASP145 4.4 68.3 1.0 H3 B:8NG201 4.4 52.1 1.0 C4 A:8NG201 4.5 59.0 1.0 CB B:ASP145 4.6 47.7 1.0 F31 B:8NG201 4.7 55.9 1.0 H4 A:8NG201 4.7 59.0 1.0 C15 A:8NG201 4.8 57.0 1.0 CG B:ASP145 5.0 60.8 1.0

Fluorine binding site 4 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:55.9 occ:1.00 F31 B:8NG201 0.0 55.9 1.0 C15 B:8NG201 1.3 55.4 1.0 C7 B:8NG201 2.4 57.6 1.0 C13 B:8NG201 2.4 50.2 1.0 H7 B:8NG201 2.6 56.6 1.0 O29 B:8NG201 2.8 46.6 1.0 H5 B:8NG201 2.9 45.2 1.0 H2 B:8NG201 3.1 46.9 1.0 C12 B:8NG201 3.2 46.9 1.0 C2 B:8NG201 3.4 47.1 1.0 CZ2 A:TRP81 3.5 40.2 1.0 C14 B:8NG201 3.6 62.3 1.0 C3 B:8NG201 3.6 52.1 1.0 O B:HOH387 3.7 72.9 1.0 C5 B:8NG201 3.8 45.2 1.0 CH2 A:TRP81 3.9 38.9 1.0 C4 B:8NG201 4.1 56.7 1.0 CD2 B:LEU92 4.2 45.6 1.0 C10 B:8NG201 4.3 45.6 1.0 CE2 A:TRP81 4.4 41.2 1.0 C1 B:8NG201 4.5 45.2 1.0 H3 B:8NG201 4.5 52.1 1.0 O B:HOH395 4.6 52.6 1.0 C9 B:8NG201 4.7 46.1 1.0 C8 B:8NG201 4.7 48.0 1.0 F30 B:8NG201 4.7 72.0 1.0 H8 B:8NG201 4.9 48.1 1.0 CZ3 A:TRP81 4.9 38.5 1.0 NE1 A:TRP81 4.9 40.1 1.0 C18 B:8NG201 4.9 44.5 1.0 O A:HOH396 4.9 67.7 1.0

Fluorine binding site 5 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:76.0 occ:1.00 F30 C:8NG201 0.0 76.0 1.0 C14 C:8NG201 1.3 71.6 1.0 C4 C:8NG201 2.3 68.5 1.0 C7 C:8NG201 2.4 68.6 1.0 H4 C:8NG201 2.6 68.2 1.0 H7 C:8NG201 2.6 68.5 1.0 C3 C:8NG201 3.6 65.9 1.0 C15 C:8NG201 3.6 66.5 1.0 C13 C:8NG201 4.0 63.6 1.0 OD2 C:ASP145 4.3 87.4 1.0 H3 C:8NG201 4.4 66.0 1.0 CB C:ASP145 4.6 66.0 1.0 F31 C:8NG201 4.7 65.2 1.0 CG C:ASP145 4.9 80.7 1.0

Fluorine binding site 6 out of 6 in the BRD4_BROMODOMAIN1-A1376855


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of BRD4_BROMODOMAIN1-A1376855 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:65.2 occ:1.00 F31 C:8NG201 0.0 65.2 1.0 C15 C:8NG201 1.3 66.5 1.0 C13 C:8NG201 2.4 63.6 1.0 C7 C:8NG201 2.4 68.6 1.0 H5 C:8NG201 2.6 51.4 1.0 H7 C:8NG201 2.6 68.5 1.0 O29 C:8NG201 2.7 58.2 1.0 H2 C:8NG201 3.0 53.2 1.0 C12 C:8NG201 3.2 52.9 1.0 C2 C:8NG201 3.3 53.0 1.0 C5 C:8NG201 3.6 51.4 1.0 C14 C:8NG201 3.6 71.6 1.0 C3 C:8NG201 3.6 65.9 1.0 O C:HOH365 3.7 66.6 1.0 CD2 C:LEU92 3.8 51.6 1.0 C4 C:8NG201 4.1 68.5 1.0 C10 C:8NG201 4.2 50.9 1.0 C1 C:8NG201 4.4 53.2 1.0 H3 C:8NG201 4.5 66.0 1.0 C9 C:8NG201 4.5 54.4 1.0 C8 C:8NG201 4.5 51.1 1.0 F30 C:8NG201 4.7 76.0 1.0 H8 C:8NG201 4.7 51.3 1.0 C18 C:8NG201 4.8 52.2 1.0 H1 C:8NG201 4.9 53.6 1.0

C.H.Park, C.H.Park. N/A N/A.